2YJ6

Conformational changes in the catalytic domain of the CPx-ATPase CopB- B upon nucleotide binding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS
Spacegroup name	P 1 21 1
Unit cell lengths	69.560, 53.900, 78.950
Unit cell angles	90.00, 98.24, 90.00

Refinement procedure

Resolution	48.330 - 2.200
R-factor	0.242
Rwork	0.239
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iye
RMSD bond length	0.009
RMSD bond angle	1.280
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.330	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.050	0.350
Number of reflections	29666
<I/σ(I)>	21.25	5.82
Completeness [%]	99.9	100
Redundancy	6.6	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M NA/MES PH 6.5, 0.2 M AMMONIUM CHLORIDE, 15 % PEG 6000